SCHEMBL7799696

SCHEMBL7799696

CCOC(=O)c1ccc(OCC(F)(F)C(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.47
PDE4B Q07343 1/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6715169 0.87 L3MBTL1 (0.52) L3MBTL1MAPTPOLBMAPK1EPHX2
SCHEMBL27913656 0.84 L3MBTL1 (0.52) L3MBTL1MAPTPOLBMAPK1EPHX2
SCHEMBL2713868 0.84 L3MBTL1 (0.55) L3MBTL1MAPTPOLBMAPK1EPHX2
SCHEMBL2714985 0.82 L3MBTL1 (0.73) L3MBTL1MAPTPOLBMAPK1EPHX2
SCHEMBL6634317 0.81 KMT2A (0.50) L3MBTL1MAPTCA12CA1CA2
SCHEMBL28012489 0.81 L3MBTL1 (0.51) L3MBTL1MAPTCXCR1CXCR2POLB
SCHEMBL31670741 0.80 MAPT (0.49) L3MBTL1MAPTPDE4BCXCR1CXCR2
SCHEMBL796983 0.79 EPHX2 (0.55) L3MBTL1MAPTEPHX2
SCHEMBL2714784 0.78 L3MBTL1 (0.48) L3MBTL1MAPTPOLBMAPK1EPHX2
SCHEMBL1091973 0.76 MAPT (0.55) L3MBTL1MAPTPDE4BCXCR1CXCR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306880-B1 HETEROCYCLIC ALCOHOL DERIVATIVES AS FUNGICIDES SANKYO COMPANY, LIMITED (JP) 2001-10-23 US disclosed
US-20010031778-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 US disclosed
US-20010031768-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 US disclosed
US-6300357-B1 FOR THERAPY OF MYCOTIC DISEASE OF A HUMAN BEING AND AN ANIMAL SANKYO COMPANY, LIMITED (JP) 2001-10-09 US disclosed
EP-0841327-B1 TRIAZOLE ANTIFUNGAL AGENT SANKYO CO (JP) 2001-10-04 EP disclosed
US-5977152-A Triazole antifungal agent SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
EP-0841327-A1 TRIAZOLE ANTIFUNGAL AGENT SANKYO COMPANY LIMITED (JP) 1998-05-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010031768-A1 Triazole antifungal agent ERG28, RIF1, NAT1 L3MBTL1 2716/4885MAPT 3625/4885PDE4B 2666/4885
US-20010031778-A1 Triazole antifungal agent ERG28, NAT1, RIF1 L3MBTL1 2644/4885MAPT 2797/4885PDE4B 2494/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.